Acetic Acid → HCID 22561602, compound
Reaction equation
[C:36]([O:37][O:38][C:39](=[O:40])[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)(=[O:47])[c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[C:54](=[O:55])([OH:56])[O-:57].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[C:9](=[O:32])[O:10][CH2:11][CH:12]([NH:20][C:21](=[O:22])[c:23]2[n:24][cH:25][cH:26][c:27]([O:30][CH3:31])[c:28]2[OH:29])[C:13](=[O:19])[O:14][CH:15]([CH3:18])[CH:16]1[OH:17].[CH3:33][S:34][CH3:35].[CH3:59][C:60]#[N:61].[CH3:62][CH2:63][O:64][CH2:65][CH3:66].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[CH3:73][C:74](=[O:75])[OH:76].[Na+:58]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[C:9](=[O:32])[O:10][CH2:11][CH:12]([NH:20][C:21](=[O:22])[c:23]2[n:24][cH:25][cH:26][c:27]([O:30][CH3:31])[c:28]2[OH:29])[C:13](=[O:19])[O:14][CH:15]([CH3:18])[CH:16]1[O:17][CH2:33][S:34][CH3:35]Participants
10
Sources & evidence
- ORD record
- ord-6ab4635692eb4fe5b4746a4edf74af01
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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